Assalamualaikum w.b.t.
Hi guys! Welcome back to our blog. Long time no see. (well, actually it's only for a week). It seem that our blog eventually will be updated one post per week, as long as there are no instruction from our beloved lecturer.
Well, let us come back to our topic for this week which is related on ChemSketch. What is ChemSketch actually? Basically, it's an application that created to ease the work on the chemistry field, especially on organic chemistry.
There are so many function that provide by that application. The most basic is to sketch the molecular structures, most of it are skeleton type of molecular structures. We can also use it to generate SMILE, get an information about molecules etc.
As what we learned on the class, we also asked to draw some molecular structures which are mainly quite complex to draw it. Somehow, we succeed to draw it. Below are the result of our drawing by using the ChemSketch:
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| Figure 1 |
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| Figure 2 |
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| Figure 3 |
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| Figure 4 |
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| Figure 5 |
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| Figure 6 |
SMILE is actually abbreviation from "Simplified Molecular Input Line Entry" system. It is basically specification in form of a line notation for describing the structure of chemical molecules using short ASCII strings. SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules.
Here are example about SMILE notations:
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Molecules
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S.M.I.L.E
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Figure 1
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OP(=O)(OC1C[C@H](O)O[C@@H]1COP(=O)(O)O)OC[C@H]2O[C@H](CC2O)N3C=C(C)C(=O)NC3=O
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Figure 2
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OP(=O)(OC1C[C@H](O)O[C@@H]1COP(=O)(O)O)OC[C@H]2O[C@H](CC2O)n4cnc3c4N=C(N)NC3=O
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Figure 3
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OP(=O)(OC1C[C@H](O)O[C@@H]1COP(=O)(O)O)OC[C@H]2O[C@H](CC2O)N3C=CC(N)=NC3=O
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Figure 4
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OP(=O)(OC1C[C@H](O)O[C@@H]1COP(=O)(O)O)OC[C@H]2O[C@H](CC2O)n4cnc3c(N)ncnc34
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Figure 5
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OP(=O)(OC1C[C@H](O)O[C@@H]1COP(=O)(O)O)OC[C@H]2O[C@@H](O)CC2O
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Figure 6
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O[C@@H]2[C@H](COC[C@@H]1OC(CO)[C@@H](O)C(O)[C@@H]1O)C(CO)O[C@@H](O)C2O
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